- InChI
- InChI=1S/C10H11FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3
- InChI Key
- QHDXPJMOWRLLRV-UHFFFAOYSA-N
- Formula
- C10H11FO
- SMILES
- CCCC(=O)c1ccc(F)cc1
- Molecular Weight1
- 166.19
- CAS
- 582-83-2
- Other Names
-
- Butyrophenone, 4'-fluoro-
- p-Fluorobutyrophenone
- 4'-Fluorobutyrophenone
- 1-(4-Fluorophenyl)-1-butanone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -187.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.72 | kJ/mol | Joback Calculated Property |
| IE | 9.10 ± 0.20 | eV | NIST |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.808 | Crippen Calculated Property | |
| McVol | 131.340 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Tboil | 513.00 | K | Joback Calculated Property |
| Tc | 718.14 | K | Joback Calculated Property |
| Tfus | 291.92 | K | Joback Calculated Property |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [284.95; 351.86] | J/mol×K | [513.00; 718.14] | 
|
| Cp,gas | 284.95 | J/mol×K | 513.00 | Joback Calculated Property |
| Cp,gas | 297.83 | J/mol×K | 547.19 | Joback Calculated Property |
| Cp,gas | 309.98 | J/mol×K | 581.38 | Joback Calculated Property |
| Cp,gas | 321.44 | J/mol×K | 615.57 | Joback Calculated Property |
| Cp,gas | 332.22 | J/mol×K | 649.76 | Joback Calculated Property |
| Cp,gas | 342.35 | J/mol×K | 683.95 | Joback Calculated Property |
| Cp,gas | 351.86 | J/mol×K | 718.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanone, 1-(4-fluorophenyl)-.
Sources
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